SCHEMBL5768280

SCHEMBL5768280

CC[C@@H]1C[C@H](NCC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.76
CCR5 P51681 15/20 0.76
CHRM2 P08172 1/20 0.67
CHRM4 P08173 1/20 0.67
CHRM1 P11229 1/20 0.67
KCNH2 Q12809 1/20 0.67
IRAK4 Q9NWZ3 2/20 0.47
CCRL2 O00421 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5768522 0.94 CCR2 (0.76) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5767999 0.93 CCR2 (0.69) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5819718 0.91 CCR2 (0.76) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL5769259 0.89 CCR2 (0.70) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3731288 0.86 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3731284 0.86 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3731287 0.86 CCR2 (1.00) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3734820 0.83 CCR2 (0.76) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3734823 0.83 CCR2 (0.76) CCR2CCR5CHRM2CHRM4CHRM1
SCHEMBL3741926 0.83 CCR2 (0.76) CCR2CCR5CHRM2CHRM4CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed